154-42-7
Product Name:
6-Thioguanine
Formula:
C5H5N5S
Synonyms:
2-Amino-6-mercaptopurine;2-Amino-6-purinethiol;6-Thioguanine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 6-thioguanine appears as odorless or almost odorless pale yellow crystalline powder. (NTP, 1992) |
|---|---|
| Color/Form | NEEDLES FROM WATER |
| Odor | ODORLESS OR PRACTICALLY ODORLESS |
| Melting Point | greater than 680 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| LogP | -0.07 |
| Stability/Shelf Life | Bulk: The compound was stable in solid form at room temperature in the absence of moisture. Solution: Alkaline solutions slowly undergo decomposition. Alkaline solutions should not be heated above 37 °C. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /sulfur oxides and nitrogen oxides/. |
| Collision Cross Section | 129.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
| Precautionary Statement Codes |
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 167.19 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 167.02656635 g/mol |
| Monoisotopic Mass | 167.02656635 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 225 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
6-thioguanine appears as odorless or almost odorless pale yellow crystalline powder. (NTP, 1992)